1-N,3,3-trimethyl-2-N-prop-1-en-2-ylbutane-1,2-diimine

C10H18N2 — CID 167201821

IUPAC1-N,3,3-trimethyl-2-N-prop-1-en-2-ylbutane-1,2-diimine
SMILESC=C(C)/N=C(\C=N\C)C(C)(C)C
InChIInChI=1S/C10H18N2/c1-8(2)12-9(7-11-6)10(3,4)5/h7H,1H2,2-6H3/b11-7+,12-9+
InChIKeyUZABGSCPWWINIV-HNWKWBPYSA-N
MW166.27 g/mol
LogP2.71
Rot. Bonds2

About 1-N,3,3-trimethyl-2-N-prop-1-en-2-ylbutane-1,2-diimine

1-N,3,3-trimethyl-2-N-prop-1-en-2-ylbutane-1,2-diimine (PubChem CID 167201821) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 1-N,3,3-trimethyl-2-N-prop-1-en-2-ylbutane-1,2-diimine.

Molecular Properties

Compound Name1-N,3,3-trimethyl-2-N-prop-1-en-2-ylbutane-1,2-diimine
PubChem CID167201821
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name1-N,3,3-trimethyl-2-N-prop-1-en-2-ylbutane-1,2-diimine
SMILESC=C(C)/N=C(\C=N\C)C(C)(C)C
InChIInChI=1S/C10H18N2/c1-8(2)12-9(7-11-6)10(3,4)5/h7H,1H2,2-6H3/b11-7+,12-9+
InChIKeyUZABGSCPWWINIV-HNWKWBPYSA-N
XLogP2.71
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N,3,3-trimethyl-2-N-prop-1-en-2-ylbutane-1,2-diimine?
The IUPAC name of 1-N,3,3-trimethyl-2-N-prop-1-en-2-ylbutane-1,2-diimine (CID 167201821) is 1-N,3,3-trimethyl-2-N-prop-1-en-2-ylbutane-1,2-diimine.
What is the SMILES notation for 1-N,3,3-trimethyl-2-N-prop-1-en-2-ylbutane-1,2-diimine?
The canonical SMILES for 1-N,3,3-trimethyl-2-N-prop-1-en-2-ylbutane-1,2-diimine is C=C(C)/N=C(\C=N\C)C(C)(C)C.
What is the InChIKey of 1-N,3,3-trimethyl-2-N-prop-1-en-2-ylbutane-1,2-diimine?
The InChIKey is UZABGSCPWWINIV-HNWKWBPYSA-N. The full InChI is InChI=1S/C10H18N2/c1-8(2)12-9(7-11-6)10(3,4)5/h7H,1H2,2-6H3/b11-7+,12-9+.
What are the key properties of 1-N,3,3-trimethyl-2-N-prop-1-en-2-ylbutane-1,2-diimine?
1-N,3,3-trimethyl-2-N-prop-1-en-2-ylbutane-1,2-diimine has a molecular weight of 166.27 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3,3-trimethyl-2-N-prop-1-en-2-ylbutane-1,2-diimine is sourced from PubChem (CID 167201821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).